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L-Leucine, N-[N-[N-[5-amino-6-(4-hydroxyphenyl)-1-oxo-3-hexenyl]glycyl]-L-phenyl alanyl]-, [S-(E)]-
SpectraBase Compound ID D3KzMBx0Ysc
InChI InChI=1S/C29H38N4O6/c1-19(2)15-25(29(38)39)33-28(37)24(17-20-7-4-3-5-8-20)32-27(36)18-31-26(35)10-6-9-22(30)16-21-11-13-23(34)14-12-21/h3-9,11-14,19,22,24-25,34H,10,15-18,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,38,39)/b9-6+
InChIKey KUUYTUXHUIHPFI-RMKNXTFCSA-N
Mol Weight 538.6 g/mol
Molecular Formula C29H38N4O6
Exact Mass 538.279135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJ5fid9gstE
Name L-Leucine, N-[N-[N-[5-amino-6-(4-hydroxyphenyl)-1-oxo-3-hexenyl]glycyl]-L-phenyl alanyl]-, [S-(E)]-
CAS Registry Number 74974-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N4O6
InChI InChI=1S/C29H38N4O6/c1-19(2)15-25(29(38)39)33-28(37)24(17-20-7-4-3-5-8-20)32-27(36)18-31-26(35)10-6-9-22(30)16-21-11-13-23(34)14-12-21/h3-9,11-14,19,22,24-25,34H,10,15-18,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,38,39)/b9-6+
InChIKey KUUYTUXHUIHPFI-RMKNXTFCSA-N
Molecular Weight 538.645 g/mol
SMILES N(C(C(NC(CNC(C\C=C\C(Cc1ccc(cc1)O)N)=O)=O)Cc1ccccc1)=O)C(C(=O)O)CC(C)C
SPLASH splash10-052f-5900000000-8f2f537cc7376716972d
Source of Spectrum KC-1982-313-0
Synonyms (S)-trans-5-amino-6-(4-hydroxyphenyl)hex-3-enoylglycyl-(l)-phenylalanyl-(l)-leucine N-{2-[({[(3E)-5-amino-6-(4-hydroxyphenyl)-3-hexenoyl]amino}acetyl)amino]-3-phenylpropanoyl}leucine
Wiley ID 1404330